2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide

C7H12O2S — CID 176604585

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
SMILESC/C=C/OCCC1CS1=O
InChIInChI=1S/C7H12O2S/c1-2-4-9-5-3-7-6-10(7)8/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyVYYZGDRDOGCYBG-DUXPYHPUSA-N
MW160.24 g/mol
LogP1.06
Rot. Bonds4

About 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide

2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide (PubChem CID 176604585) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
PubChem CID176604585
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
SMILESC/C=C/OCCC1CS1=O
InChIInChI=1S/C7H12O2S/c1-2-4-9-5-3-7-6-10(7)8/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyVYYZGDRDOGCYBG-DUXPYHPUSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfinyl-3,4-dihydro-2H-pyran
CID 129215890
2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
CID 176602966
2-[3-[(E)-prop-1-enoxy]propyl]thiirane 1,1-dioxide
CID 176602968
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176603269
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1,1-dioxide
CID 176603312
2-[2-(2-Methylprop-1-enoxy)ethyl]thiirane 1-oxide
CID 176603354
2-(2-Methylprop-1-enoxymethyl)thiirane 1-oxide
CID 176603453
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176603548
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176603552
2-methyl-2-[[(E)-prop-1-enoxy]methyl]thiirane 1,1-dioxide
CID 176603758
2-(2-Ethenoxyethyl)-2-methylthiirane 1-oxide
CID 176603787
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide
CID 176604414

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide (CID 176604585) is 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide is C/C=C/OCCC1CS1=O.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide?
The InChIKey is VYYZGDRDOGCYBG-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-4-9-5-3-7-6-10(7)8/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide?
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide has a molecular weight of 160.24 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]thiirane 1-oxide is sourced from PubChem (CID 176604585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).